N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C12H26N2O — CID 107441277

IUPACN'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNC(C)C1CCCO1
InChIInChI=1S/C12H26N2O/c1-9(2)11(7-13)8-14-10(3)12-5-4-6-15-12/h9-12,14H,4-8,13H2,1-3H3
InChIKeyIQSQLRFHYOAMBF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.37
Rot. Bonds6

About N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441277) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441277
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNC(C)C1CCCO1
InChIInChI=1S/C12H26N2O/c1-9(2)11(7-13)8-14-10(3)12-5-4-6-15-12/h9-12,14H,4-8,13H2,1-3H3
InChIKeyIQSQLRFHYOAMBF-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 63686991
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol
CID 167757207
1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938470
1-[(2-methylpropan-2-yl)oxy]-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938374
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938520
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881
N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine
CID 113423521
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 54938612
1-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633061

Frequently Asked Questions

What is the IUPAC name of N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441277) is N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNC(C)C1CCCO1.
What is the InChIKey of N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is IQSQLRFHYOAMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)11(7-13)8-14-10(3)12-5-4-6-15-12/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).